3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid

C14H12N2O2S — CID 16637061

IUPAC3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)O)sc21
InChIInChI=1S/C14H12N2O2S/c1-8-5-3-4-6-11(8)16-13-10(9(2)15-16)7-12(19-13)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyVNOUZONDYAPHRE-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.40
Rot. Bonds2

About 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid

3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid (PubChem CID 16637061) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid
PubChem CID16637061
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)O)sc21
InChIInChI=1S/C14H12N2O2S/c1-8-5-3-4-6-11(8)16-13-10(9(2)15-16)7-12(19-13)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyVNOUZONDYAPHRE-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2022050
N-(2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2024685
(4-cyclohexylpiperazin-1-yl)-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2009988
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 139014614
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2014815
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 166287493
1-(5-bromo-2-pyridinyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 65348138
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2004901
(2S)-1-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365116

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid (CID 16637061) is 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid is Cc1ccccc1-n1nc(C)c2cc(C(=O)O)sc21.
What is the InChIKey of 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid?
The InChIKey is VNOUZONDYAPHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-5-3-4-6-11(8)16-13-10(9(2)15-16)7-12(19-13)14(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid?
3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxylic acid is sourced from PubChem (CID 16637061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).